Symmetrized Drude Oscillator Force Fields Improve Numerical Performance of Polarizable Molecular Dynamics
Author:
Affiliation:
1. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
2. Department of Chemistry, University of California, Berkeley, California 94720, United States
Funder
U.S. Department of Energy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00278
Reference58 articles.
1. An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
2. Computational Modeling of Ion Transport in Bulk and through a Nanopore Using the Drude Polarizable Force Field
3. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
4. Development and testing of a general amber force field
5. CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
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